Atazanavir sulfate, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H52N6O7.H2O4S
Molecular Weight	802.934
Optical Activity	( + )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.COC(=O)N[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)[C@H](O)CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](NC(=O)OC)C(C)(C)C)C(C)(C)C

InChI

InChIKey=DQSGVVGOPRWTKI-XXBGQOOISA-N

InChI=1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C38H52N6O7
Molecular Weight	704.8555
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:46:58 GMT 2025` Edited by `admin` on `Wed Apr 02 13:46:58 GMT 2025`
Record UNII	PJQ6JJ6NML
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-dimethyl ester, (3R,8R,9R,12R)-, sulfate (1:1)

Preferred Name

English

Atazanavir sulfate, (+)-

Common Name

English

Methyl [(5R,10R,11R,14R)-11-benzyl-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-8-[[4-(pyridin-2-yl)phenyl]methyl]-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate sulfate

Systematic Name

English

Dimethyl (3R,8R,9R,12R)-9-benzyl-3,12,di-tert-butyl-8-hydroxy-4,11-dioxo-6-(p-2-pyridylbenzyl)-2,5,6,10,13-pentaazatetradecanedioate, sulfate (1:1) (salt)

Systematic Name

English

Code System Code Type Description

FDA UNII

PJQ6JJ6NML

Created by admin on Wed Apr 02 13:46:58 GMT 2025 , Edited by admin on Wed Apr 02 13:46:58 GMT 2025

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PUBCHEM

133108991

Created by admin on Wed Apr 02 13:46:58 GMT 2025 , Edited by admin on Wed Apr 02 13:46:58 GMT 2025

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